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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Jun-2021/surfaces Pd(111)-In-Pd-InDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--315.03664562; eV
thumbnail.jpeg6-Jun-2021/redCO2_high-coverage Pd(111)-CO-075MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--519.40672778; eV
thumbnail.jpeg6-Jun-2021/surfaces Pd(111)-1In-surf-1In-NSADattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--314.86573046; eV
thumbnail.jpeg6-Jun-2021/surfaces Pd(111)-In-surfDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--315.43254399; eV
thumbnail.jpeg6-Jun-2021/redCO2_high-coverage Pd(111)-In-surf-CO-075MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--517.79747260; eV
thumbnail.jpeg6-Jun-2021/redCO2 Pd(111)-CO-fcc-fixed-surfDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--338.58416678; eV
thumbnail.jpeg6-Jun-2021/redCO2 InPd3(100)-CO-hollow-sub-InDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--327.89179706; eV
thumbnail.jpeg6-Jun-2021/redCO2 Pd(111)-In-surf-CO-fcc-3Pd-1Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--338.56220931; eV
thumbnail.jpeg6-Jun-2021/redCO2 InPd3(100)-CO-hollow-sub-PdDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--328.35450829; eV
thumbnail.jpeg6-Jun-2021/redCO2 InPd3(100)-COOHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--337.22330224; eV
Results 1-10 of 102 (Search time: 0.037 seconds).